General Information of the Compound
| Compound ID |
CP0953531
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| Compound Name |
8-chloro-3-(2-cyclohexylethyl)-3,7-dihydro-1H-purine-2,6-dione
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| Structure |
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| Formula |
C13H17ClN4O2
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| Molecular Weight |
296.758
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| Canonical SMILES |
O=c1[nH]c(=O)n(CCC2CCCCC2)c2nc(Cl)[nH]c12
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| InChI |
InChI=1S/C13H17ClN4O2/c14-12-15-9-10(16-12)18(13(20)17-11(9)19)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,15,16)(H,17,19,20)
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| InChIKey |
LUAXNAHNUUTNCH-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound